| Compound ID | MAK-UNK-6ca90168-25 |
| ΔG / kcal M-1 | −12.5 ± 0.2 |
| IC50 / µM | TBD |
| pIC50 | TBD |
| RUN | Initial microstate | Final microstate | ΔΔG / kcal M-1 | Work distributions | Convergence | ||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| RUN7 | PET-UNK-29afea89-2_1 |
|
MAK-UNK-6ca90168-25_1 |
|
−5.8 ± 0.2 |
|
|
||||